(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

C15H24N2 — CID 51656542

IUPAC(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1ccccc1[C@@H](CN)N1CCC(C)CC1
InChIInChI=1S/C15H24N2/c1-12-7-9-17(10-8-12)15(11-16)14-6-4-3-5-13(14)2/h3-6,12,15H,7-11,16H2,1-2H3/t15-/m1/s1
InChIKeyZYKVFXBMJPZELG-OAHLLOKOSA-N
MW232.37 g/mol
LogP2.73
Rot. Bonds3

About (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 51656542) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID51656542
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1ccccc1[C@@H](CN)N1CCC(C)CC1
InChIInChI=1S/C15H24N2/c1-12-7-9-17(10-8-12)15(11-16)14-6-4-3-5-13(14)2/h3-6,12,15H,7-11,16H2,1-2H3/t15-/m1/s1
InChIKeyZYKVFXBMJPZELG-OAHLLOKOSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylazepan-1-yl)-2-(2-methylphenyl)ethanamine
CID 63622557
2-(4,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62935471
2-(3,4-dimethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 79182595
2-(2,4-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 62331932
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-methylphenyl)ethanamine
CID 43581361
2-(4-fluoro-2-methylphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624416
2-(2,5-dimethylthiophen-3-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 54976931
2-(2-ethylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 55067304
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79940900
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 62134804

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 51656542) is (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine is Cc1ccccc1[C@@H](CN)N1CCC(C)CC1.
What is the InChIKey of (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is ZYKVFXBMJPZELG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-7-9-17(10-8-12)15(11-16)14-6-4-3-5-13(14)2/h3-6,12,15H,7-11,16H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 51656542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).